[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C20H18BrNO7 MolecularWeight: 464.26342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br)OC

InChI

InChI=1S/C20H18BrNO7/c1-3-27-17-8-12(6-13(21)19(17)26-2)20(25)29-9-15(23)11-4-5-16-14(7-11)22-18(24)10-28-16/h4-8H,3,9-10H2,1-2H3,(H,22,24)